Geometry & MOs

Info

ID:	322071
PubChem CID:	126668497
Reduced:	FOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	521.123226
ΔH_f, kcal/mol:	-29.16
Dipole, Da:	5.73
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-[2-[(3S)-oxolan-3-yl]oxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-2-yl-3,4-dihydro-2H-chromene-7-sulfonamide

Drug info:

PubChemData

Smile

C1CC2=C(C=C(C=C2)SNC3=NC(=CC=C3)F)OC1

DOS

IR

Vibrations